N-[4-chloro-3-[1-(piperidin-4-ylmethyl)benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

C27H25ClF3N5O — CID 11656625

IUPACN-[4-chloro-3-[1-(piperidin-4-ylmethyl)benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3ccccc3n2CC2CCNCC2)c1
InChIInChI=1S/C27H25ClF3N5O/c1-16-19(7-9-24(33-16)27(29,30)31)26(37)34-18-6-8-21(28)20(14-18)25-35-22-4-2-3-5-23(22)36(25)15-17-10-12-32-13-11-17/h2-9,14,17,32H,10-13,15H2,1H3,(H,34,37)
InChIKeyIEOUFUPAPLHQAY-UHFFFAOYSA-N
MW527.98 g/mol
LogP6.33
Rot. Bonds5

About N-[4-chloro-3-[1-(piperidin-4-ylmethyl)benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

N-[4-chloro-3-[1-(piperidin-4-ylmethyl)benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 11656625) has the molecular formula C27H25ClF3N5O and a molecular weight of 527.98 g/mol. Its IUPAC name is N-[4-chloro-3-[1-(piperidin-4-ylmethyl)benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-[1-(piperidin-4-ylmethyl)benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID11656625
Molecular FormulaC27H25ClF3N5O
Molecular Weight527.98 g/mol
Exact Mass527.17
IUPAC NameN-[4-chloro-3-[1-(piperidin-4-ylmethyl)benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3ccccc3n2CC2CCNCC2)c1
InChIInChI=1S/C27H25ClF3N5O/c1-16-19(7-9-24(33-16)27(29,30)31)26(37)34-18-6-8-21(28)20(14-18)25-35-22-4-2-3-5-23(22)36(25)15-17-10-12-32-13-11-17/h2-9,14,17,32H,10-13,15H2,1H3,(H,34,37)
InChIKeyIEOUFUPAPLHQAY-UHFFFAOYSA-N
XLogP6.33
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.98
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[1-(piperidin-4-ylmethyl)benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[4-chloro-3-[1-(piperidin-4-ylmethyl)benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 11656625) is N-[4-chloro-3-[1-(piperidin-4-ylmethyl)benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-3-[1-(piperidin-4-ylmethyl)benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[4-chloro-3-[1-(piperidin-4-ylmethyl)benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3ccccc3n2CC2CCNCC2)c1.
What is the InChIKey of N-[4-chloro-3-[1-(piperidin-4-ylmethyl)benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is IEOUFUPAPLHQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClF3N5O/c1-16-19(7-9-24(33-16)27(29,30)31)26(37)34-18-6-8-21(28)20(14-18)25-35-22-4-2-3-5-23(22)36(25)15-17-10-12-32-13-11-17/h2-9,14,17,32H,10-13,15H2,1H3,(H,34,37).
What are the key properties of N-[4-chloro-3-[1-(piperidin-4-ylmethyl)benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[4-chloro-3-[1-(piperidin-4-ylmethyl)benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 527.98 g/mol, XLogP of 6.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[1-(piperidin-4-ylmethyl)benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 11656625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).